N-(5-hydroxypentyl)-N-methylcyclohex-3-ene-1-carboxamide

C13H23NO2 — CID 107202209

IUPACN-(5-hydroxypentyl)-N-methylcyclohex-3-ene-1-carboxamide
SMILESCN(CCCCCO)C(=O)C1CC=CCC1
InChIInChI=1S/C13H23NO2/c1-14(10-6-3-7-11-15)13(16)12-8-4-2-5-9-12/h2,4,12,15H,3,5-11H2,1H3
InChIKeyVDIUGRBURAJTQP-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.96
Rot. Bonds6

About N-(5-hydroxypentyl)-N-methylcyclohex-3-ene-1-carboxamide

N-(5-hydroxypentyl)-N-methylcyclohex-3-ene-1-carboxamide (PubChem CID 107202209) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N-methylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N-methylcyclohex-3-ene-1-carboxamide
PubChem CID107202209
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-(5-hydroxypentyl)-N-methylcyclohex-3-ene-1-carboxamide
SMILESCN(CCCCCO)C(=O)C1CC=CCC1
InChIInChI=1S/C13H23NO2/c1-14(10-6-3-7-11-15)13(16)12-8-4-2-5-9-12/h2,4,12,15H,3,5-11H2,1H3
InChIKeyVDIUGRBURAJTQP-UHFFFAOYSA-N
XLogP1.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1R)-1-[(2R)-4-hydroxybutan-2-yl]cyclopent-2-en-1-yl]-piperidin-1-ylmethanone
CID 13775370
3-hydroxy-2-methyl-3a,4,7,7a-tetrahydro-3H-isoindol-1-one
CID 12394612
N-(3-chloropropyl)-6-(hydroxymethyl)-N-methylcyclohex-3-ene-1-carboxamide
CID 21266124
6-(hydroxymethyl)-N-methyl-N-octadecylcyclohex-3-ene-1-carboxamide
CID 21266126
[6-(Hydroxymethyl)cyclohex-3-en-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 53686294
N-(2-hydroxyethyl)-N-methylcyclohex-3-ene-1-carboxamide
CID 60740028
N,N-bis(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide
CID 61234886
1-(3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-yl)-5-hydroxypentan-1-one
CID 123654969
(4-Bromocyclohex-3-en-1-yl)-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 129105008
2-ethyl-3-hydroxy-4-methyl-3a,4,7,7a-tetrahydro-3H-isoindol-1-one
CID 138726100
5-(methoxymethyl)-N,N-dimethylcyclohex-2-ene-1-carboxamide
CID 143729447
N-(cyclohex-3-en-1-ylmethyl)-N-(2-hydroxyethyl)acetamide
CID 157037385

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N-methylcyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-N-methylcyclohex-3-ene-1-carboxamide (CID 107202209) is N-(5-hydroxypentyl)-N-methylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N-methylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-N-methylcyclohex-3-ene-1-carboxamide is CN(CCCCCO)C(=O)C1CC=CCC1.
What is the InChIKey of N-(5-hydroxypentyl)-N-methylcyclohex-3-ene-1-carboxamide?
The InChIKey is VDIUGRBURAJTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-14(10-6-3-7-11-15)13(16)12-8-4-2-5-9-12/h2,4,12,15H,3,5-11H2,1H3.
What are the key properties of N-(5-hydroxypentyl)-N-methylcyclohex-3-ene-1-carboxamide?
N-(5-hydroxypentyl)-N-methylcyclohex-3-ene-1-carboxamide has a molecular weight of 225.33 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N-methylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 107202209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).